SCHEMBL24975763

SCHEMBL24975763

CCCCCC(C)(NC)C(C)OC

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.32
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23975626 0.69 EPHX1 (0.31) EPHX1
SCHEMBL21148654 0.65 EPHX1 (0.37) EPHX1
SCHEMBL7597619 0.65 EPHX1 (0.38) EPHX1ALDH1A1TSHR
SCHEMBL5954723 0.64 LPAR1 (0.33) EPHX1ALDH1A1TSHR
SCHEMBL9750773 0.64 OPRM1 (0.32) ALDH1A1TSHR
SCHEMBL8965926 0.64 TSHR (0.31) TSHR
SCHEMBL22624028 0.63 TSHR (0.42) EPHX1TSHR
SCHEMBL24943233 0.63 TSHR (0.42) EPHX1TSHR
SCHEMBL21159161 0.63 TSHR (0.42) EPHX1TSHR
SCHEMBL18430943 0.63 TSHR (0.42) EPHX1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230037284-A9 COMBINATION THERAPY OF PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2023-02-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230037284-A9 COMBINATION THERAPY OF PEPTIDOMIMETIC MACROCYCLES BID, FLT3, GRPR EPHX1 4656/4885ALDH1A1 4722/4885TSHR 802/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.